Repositorio de Universidad Autónoma de Chile.
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N-Heterocyclic carbene derivatives to modify gold superatom characteristics. Tailorable electronic and optical properties of [Au11(PPh3)7LCl2]+ as a cluster from relativistic DFT
Atomically precise gold superatoms are useful building blocks whose properties can be tuned by the proper choice of ligands in the protecting ligand layer. Herein, different N-heterocyclic carbene (NHC) derivatives of the prototypical [Au11(PPh3)8Cl2]+ cluster were evaluated by the replacement of a
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